(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide

C23H26N2OS — CID 9434199

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)Cc2sccc2C)c1
InChIInChI=1S/C23H26N2OS/c1-16-10-11-17(2)20(14-16)24-23(26)22(19-8-6-5-7-9-19)25(4)15-21-18(3)12-13-27-21/h5-14,22H,15H2,1-4H3,(H,24,26)/t22-/m1/s1
InChIKeyDKTWGKRAWRPBDO-JOCHJYFZSA-N
MW378.54 g/mol
LogP5.49
Rot. Bonds6

About (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide

(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide (PubChem CID 9434199) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
PubChem CID9434199
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)Cc2sccc2C)c1
InChIInChI=1S/C23H26N2OS/c1-16-10-11-17(2)20(14-16)24-23(26)22(19-8-6-5-7-9-19)25(4)15-21-18(3)12-13-27-21/h5-14,22H,15H2,1-4H3,(H,24,26)/t22-/m1/s1
InChIKeyDKTWGKRAWRPBDO-JOCHJYFZSA-N
XLogP5.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 8801958
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
CID 18135887
(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetamide
CID 9103359
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4882071
(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8516586
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9389955
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429
(2S)-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 27245811
[2-(dimethylamino)-2-oxoethyl]-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8712142
(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide (CID 9434199) is (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide is Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)Cc2sccc2C)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide?
The InChIKey is DKTWGKRAWRPBDO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-16-10-11-17(2)20(14-16)24-23(26)22(19-8-6-5-7-9-19)25(4)15-21-18(3)12-13-27-21/h5-14,22H,15H2,1-4H3,(H,24,26)/t22-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide?
(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide has a molecular weight of 378.54 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 9434199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).